Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120365 |
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Identification |
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Name: |
N-isopropylammelide |
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Description: | A dihydroxy-1,3,5-triazine consisting of ammelide bearing an N-isopropyl substituent. |
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Structure |
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Synonyms: | - N-Isopropylammelide
- N-isopropylammelide
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Chemical Formula: |
C6H10N4O2 |
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Average Molecular Weight: |
170.171 |
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Monoisotopic Molecular
Weight: |
170.08037 |
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InChI Key: |
DBFMBHXVWIURSV-UHFFFAOYSA-N |
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InChI: | InChI=1S/C6H10N4O2/c1-3(2)7-4-8-5(11)10-6(12)9-4/h3H,1-2H3,(H3,7,8,9,10,11,12) |
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CAS
number: |
Not Available |
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IUPAC Name: | 6-(isopropylamino)-1,3,5-triazine-2,4-diol |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | CC(NC1(N=C(O)N=C(N=1)O))C |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as n-aliphatic s-triazines. These are n-aliphatic amine derivatives of 1,3,5-triazines. 1,3,5-triazines are aromatic compounds having three nitrogen ring atoms at the 1-, 3-, and 5- positions. |
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Kingdom |
Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class |
Triazines |
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Sub Class | Aminotriazines |
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Direct Parent |
N-aliphatic s-triazines |
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Alternative Parents |
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Substituents |
- Secondary aliphatic/aromatic amine
- Triazinone
- N-aliphatic s-triazine
- 1,3,5-triazine
- Heteroaromatic compound
- Urea
- Azacycle
- Secondary amine
- Organic oxide
- Hydrocarbon derivative
- Organonitrogen compound
- Amine
- Organooxygen compound
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework |
Aromatic heteromonocyclic compounds |
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External Descriptors |
- dihydroxy-1,3,5-triazine, monoamino-1,3,5-triazine (CHEBI:17247)
- a small molecule (N-ISOPROPYLAMMELIDE)
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Physical Properties |
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State: |
Not Available |
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Charge: | 0 |
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Melting point: |
Not Available |
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Experimental Properties: |
Not Available |
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Predicted Properties |
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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
- atrazine degradation I (aerobic)P141-PWY
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Spectra |
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Spectra: |
Not Available |
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References |
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References: |
- Seffernick JL, Aleem A, Osborne JP, Johnson G, Sadowsky MJ, Wackett LP (2007)Hydroxyatrazine N-ethylaminohydrolase (AtzB): an amidohydrolase superfamily enzyme catalyzing deamination and dechlorination. Journal of bacteriology 189, Pubmed: 17660279
- Devers M, Rouard N, Martin-Laurent F (2008)Fitness drift of an atrazine-degrading population under atrazine selection pressure. Environmental microbiology 10, Pubmed: 18237303
- Liu X, Parales RE (2009)Bacterial chemotaxis to atrazine and related s-triazines. Applied and environmental microbiology 75, Pubmed: 19581468
- Sadowsky MJ, Tong Z, de Souza M, Wackett LP (1998)AtzC is a new member of the amidohydrolase protein superfamily and is homologous to other atrazine-metabolizing enzymes. Journal of bacteriology 180, Pubmed: 9422605
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Synthesis Reference: |
Not Available |
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Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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External Links: |
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